SCHEMBL6665016

SCHEMBL6665016

CC(C)C[C@H](NC(=O)CBr)C(=O)N[C@@H](Cc1ccc(C2CN(C(=O)O)CCO2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.41
CACNA1B Q00975 4/20 0.40
MMP1 P03956 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP3A5 P20815 2/20 0.39
CYP3A7 P24462 2/20 0.39
CYP3A43 Q9HB55 2/20 0.39
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TMPRSS11D O60235 1/20 0.37
CTRL P40313 1/20 0.37
YAP1 P46937 1/20 0.37
PSMB5 P28074 5/20 0.37
CTSS P25774 1/20 0.37
PSMB11 A5LHX3 1/20 0.37
PSMD11 O00231 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6665022 0.81 CYP3A4 (0.42) RENCACNA1BMMP1CYP3A4CYP3A5
SCHEMBL6473757 0.80 CACNA1B (0.46) RENCACNA1BMMP1CYP3A4CYP3A5
SCHEMBL7339983 0.70 CTSS (0.59) RENCACNA1BYAP1PSMB5CTSS
SCHEMBL13296580 0.69 MAPT (0.57) MMP1POLBMAPTATMNPSR1
SCHEMBL7345553 0.69 CACNA1B (0.47) RENCACNA1BMMP1POLBMAPT
SCHEMBL7345558 0.69 CACNA1B (0.47) RENCACNA1BMMP1POLBMAPT
SCHEMBL21981114 0.68 LY96 (0.53) POLBMAPTNPSR1TDP1CTSS
SCHEMBL6479130 0.68 CTSK (0.55) CACNA1BCTSS
SCHEMBL7338655 0.68 MMP1 (0.53) RENCACNA1BMMP1PSMB5PSMB11
SCHEMBL7342868 0.68 CTSL (0.47) RENCACNA1BMMP1YAP1PSMB5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140837-B1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2004-08-18 EP disclosed